Nd2Y12Ho
Alexandria ALEXAlex-ID: agm005772670 · 空间群: Cmme (#67)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C12_71_spg67
Nd2Y7 Y5Ho
2023-07-18 08:57:24.480932
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772670).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005772670
data_agm005772670
_cell_length_a 6.71557
_cell_length_b 6.71557
_cell_length_c 24.89658
_cell_angle_alpha 89.99992
_cell_angle_beta 90.00008
_cell_angle_gamma 63.69620
_cell_volume 1006.54886
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nd1 Nd 0.50000 0.00000 0.26947 1.00000
Nd2 Nd 1.00000 0.50000 0.26485 1.00000
Nd3 Nd 0.00000 0.50000 0.73053 1.00000
Nd4 Nd 0.50000 1.00000 0.73515 1.00000
Y1 Y 0.50000 0.50000 0.80203 1.00000
Y2 Y 1.00000 0.00000 0.80203 1.00000
Y3 Y 0.75042 0.74958 0.87449 1.00000
Y4 Y 0.25031 0.75031 0.92390 1.00000
Y5 Y 0.00000 1.00000 0.32716 1.00000
Y6 Y 0.24969 0.74969 0.07610 1.00000
Y7 Y 0.76387 0.26387 0.56083 1.00000
Y8 Y 0.50000 0.50000 0.32716 1.00000
Y9 Y 0.24958 0.25042 0.87449 1.00000
Y10 Y 0.74958 0.75042 0.12551 1.00000
Y11 Y 0.26092 0.23908 0.58478 1.00000
Y12 Y 0.73613 0.23613 0.43917 1.00000
Y13 Y 1.00000 0.00000 0.67284 1.00000
Y14 Y 0.23908 0.26092 0.41522 1.00000
Y15 Y 0.25042 0.24958 0.12551 1.00000
Y16 Y 0.76092 0.73908 0.41522 1.00000
Y17 Y 0.73908 0.76092 0.58478 1.00000
Y18 Y 0.00000 1.00000 0.19797 1.00000
Y19 Y 0.23613 0.73613 0.56083 1.00000
Y20 Y 0.50000 0.50000 0.67284 1.00000
Y21 Y 0.74969 0.24969 0.92390 1.00000
Y22 Y 0.50000 0.50000 0.19797 1.00000
Y23 Y 0.26387 0.76387 0.43917 1.00000
Y24 Y 0.75031 0.25031 0.07610 1.00000
Ho1 Ho 0.50000 0.00000 0.00007 1.00000
Ho2 Ho 0.00000 0.50000 0.99993 1.00000
